1-[4-(Ethanesulfonyl)phenyl]ethan-1-one

Base Information

Chemical Name:1-[4-(Ethanesulfonyl)phenyl]ethan-1-one
CAS No.:99186-50-2
Molecular Formula:C10H12O3S
Molecular Weight:212.27
Hs Code.:2914700090
ChEMBL ID:CHEMBL4555723
DSSTox Substance ID:DTXSID70561092
Wikidata:Q82444750
Mol file:99186-50-2.mol

Synonyms:99186-50-2;4-Ethylsulfonylacetophenone;1-[4-(ethanesulfonyl)phenyl]ethan-1-one;1-(4-(Ethylsulfonyl)phenyl)ethanone;1-(4-ethylsulfonylphenyl)ethanone;4'-(ethylsulphonyl)acetophenone;MFCD02261886;4'-ethylsulfonylacetophenone;CHEMBL4555723;DTXSID70561092;ZDA18650;AKOS005216973;FS-2109;CS-0224175;EN300-118110;ETHANONE,1-[4-(ETHYLSULFONYL)PHENYL]-;G43102;A845974;Z1269182199

Suppliers and Price of 1-[4-(Ethanesulfonyl)phenyl]ethan-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-[4-(ethanesulfonyl)phenyl]ethan-1-one
25mg
$ 90.00

Oakwood
4-Ethylsulfonylacetophenone
100mg
$ 45.00

Matrix Scientific
4-Ethylsulfonylacetophenone
500mg
$ 121.00

CHESS?
PF100269:4-ETHYLSULFONYLACETOPHENONE 95
1 g
$ 114.00

American Custom Chemicals Corporation
4-ETHYLSULFONYLACETOPHENONE 95.00%
500MG
$ 710.33

AK Scientific
4-Ethylsulfonylacetophenone
500mg
$ 213.00

Total 13 raw suppliers

Chemical Property of 1-[4-(Ethanesulfonyl)phenyl]ethan-1-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:110-112 °C
Refractive Index:1.517
Boiling Point:393.4 °C at 760 mmHg
Flash Point:243.1 °C
PSA：59.59000
Density:1.184 g/cm³
LogP:2.76360
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:212.05071541
Heavy Atom Count:14
Complexity:292

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(ethanesulfonyl)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCS(=O)(=O)C1=CC=C(C=C1)C(=O)C

Technology Process of 1-[4-(Ethanesulfonyl)phenyl]ethan-1-one

There total 3 articles about 1-[4-(Ethanesulfonyl)phenyl]ethan-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 40.0%

: 13329-40-3
4-Iodoacetophenone

: 20035-08-9
sodium ethanesulfinate

: 99186-50-2
1-(4-(ethylsulfonyl)phenyl)ethan-1-one

Guidance literature:: With tetrakis(actonitrile)copper(I) hexafluorophosphate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In dimethyl sulfoxide; for 16h; Inert atmosphere; Irradiation; Schlenk technique; Heating;
DOI:10.1021/acs.orglett.1c01050

Reference yield:

: 3585-73-7
1-[4-(ethylsulfanyl)phenyl]ethan-1-one

: 99186-50-2
1-(4-(ethylsulfonyl)phenyl)ethan-1-one

Guidance literature:: With dihydrogen peroxide; acetic acid;

Reference yield:

: 622-38-8
Ethyl phenyl sulfide

: 99186-50-2
1-(4-(ethylsulfonyl)phenyl)ethan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: AlCl₃; CHCl₃

2: aqueous H₂O₂; acetic acid

With aluminium trichloride; chloroform; dihydrogen peroxide; acetic acid;